SCHEMBL2113197

SCHEMBL2113197

Cc1cc(N(C)S(C)(=O)=O)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
PTK2 Q05397 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
TSHR P16473 1/20 0.30
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30456713 0.77 CYP1A2 (0.37) MEN1KMT2AALDH1A1
SCHEMBL1237590 0.77 CYP1A2 (0.37) MEN1KMT2AALDH1A1
SCHEMBL1458885 0.71 GAA (0.32) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL20875307 0.70 SLC22A12 (0.39) MEN1KMT2ALMNAALDH1A1PTK2
SCHEMBL16486044 0.70 CA1 (0.34) MEN1KMT2ALMNATSHR
SCHEMBL4441091 0.70 HCRTR1 (0.34) ALDH1A1GAA
SCHEMBL17258691 0.69 CCR1 (0.40) KMT2AALDH1A1GAA
SCHEMBL20909923 0.68 UHRF1 (0.42) MEN1KMT2ALMNAALDH1A1PIK3C3
SCHEMBL17790348 0.68 NPSR1 (0.41) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL15516164 0.68 POLB (0.47) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MEN1 3390/4885KMT2A 1676/4885LMNA 2362/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MEN1 3390/4885KMT2A 1676/4885LMNA 2362/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.